| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:53 UTC |
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| Update Date | 2025-03-25 00:48:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O3 |
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| Molecular Mass | 202.1317 |
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| SMILES | CC(C)CC(N=C(N)CCO)C(=O)O |
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| InChI Key | ZCDNQGDQQYKANM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholmethyl-branched fatty acidorganic 1,3-dipolar compoundcarboximidamidebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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